FOSGEMCITABINE PALABENAMIDE, P(RS)-

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Investigational

Investigational

Details

Stereochemistry	EPIMERIC
Molecular Formula	C25H27F2N4O8P
Molecular Weight	580.4744
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0
Stereo Comments	Epimeric on phosphorus

SHOW SMILES / InChI

Structure of FOSGEMCITABINE PALABENAMIDE, P(RS)-

Structure Search

SMILES

C[C@H](NP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChIKey=NHTKGYOMICWFQZ-KKQYNPQSSA-N

InChI=1S/C25H27F2N4O8P/c1-16(22(33)36-14-17-8-4-2-5-9-17)30-40(35,39-18-10-6-3-7-11-18)37-15-19-21(32)25(26,27)23(38-19)31-13-12-20(28)29-24(31)34/h2-13,16,19,21,23,32H,14-15H2,1H3,(H,30,35)(H2,28,29,34)/t16-,19+,21+,23+,40?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H27F2N4O8P
Molecular Weight	580.4744
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:31:12 GMT 2023` Edited by `admin` on `Sat Dec 16 11:31:12 GMT 2023`
Record UNII	XCL1K2T28K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FOSGEMCITABINE PALABENAMIDE, P(RS)-

Common Name

English

BENZYL (2S)-2-((((2R,3R,5R)-5-(4-AMINO-2-OXO-PYRIMIDIN-1-YL)-4,4-DIFLUORO-3-HYDROXY-TETRAHYDROFURAN-2-YL)METHOXY-PHENOXY-PHOSPHORYL)AMINO)PROPANOATE

Systematic Name

English

L-Alanine, N-(2′-deoxy-2′,2′-difluoro-P-phenyl-5′-cytidylyl)-, phenylmethyl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

11169170

Created by admin on Sat Dec 16 11:31:12 GMT 2023 , Edited by admin on Sat Dec 16 11:31:12 GMT 2023

PRIMARY

FDA UNII

XCL1K2T28K

Created by admin on Sat Dec 16 11:31:12 GMT 2023 , Edited by admin on Sat Dec 16 11:31:12 GMT 2023

PRIMARY

DRUG BANK

DB15057

Created by admin on Sat Dec 16 11:31:12 GMT 2023 , Edited by admin on Sat Dec 16 11:31:12 GMT 2023

PRIMARY

CAS

840506-29-8

Created by admin on Sat Dec 16 11:31:12 GMT 2023 , Edited by admin on Sat Dec 16 11:31:12 GMT 2023

PRIMARY

Related Record Type Details


					0ECL5GN2CX

FOSGEMCITABINE PALABENAMIDE, P(R)-

ENANTIOMER -> RACEMATE

Amount:


					I17GWP65CE

FOSGEMCITABINE PALABENAMIDE

ACTIVE ISOMER -> PARENT

Amount:


					I17GWP65CE

FOSGEMCITABINE PALABENAMIDE

ENANTIOMER -> RACEMATE

Amount:

Related Record Type Details


					A0Q7SO4OZE

GEMCITABINE TRIPHOSPHATE

METABOLITE ACTIVE -> PRODRUG

Amount:


					6FIZ684IIK

GEMCITABINE 5'-DIPHOSPHATE

METABOLITE ACTIVE -> PRODRUG

Amount:

Related Record Type Details


					6FIZ684IIK

GEMCITABINE 5'-DIPHOSPHATE

ACTIVE MOIETY


					A0Q7SO4OZE

GEMCITABINE TRIPHOSPHATE

ACTIVE MOIETY